(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 S Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 3p | .998865 | -.14563298 |
| 2 | 4p | .467512 | .69081578 |
| 3 | 5p | .298910 | -1.19055545 |
| 4 | 3p | 1.814953 | -.08156631 |
| 5 | 2p | 8.687703 | .00594593 |
| 6 | 2p | 4.147274 | .02333260 |
| 7 | 4p | 10.579929 | .00111286 |
| 8 | 2p | .470380 | .15159548 |
| 9 | 3p | .189629 | -.03937370 |
| ORB.ENERGY,a.u. | -.037256 | ||
| NORM | 1.000000 | < R > | 19.285896 | < R2 > | 418.066983 | < 1/R > | .067088 | < 1/R**2 > | .013183 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.469778 | .24915465 |
| 2 | 2p | 1.047539 | -.83239164 |
| 3 | 3p | 1.572333 | -.25000609 |
| 4 | 2p | 7.033489 | .10141853 |
| 5 | 3p | 9.727222 | -.00984622 |
| 6 | 4p | 1.061101 | .00951452 |
| 7 | 4p | 25.178451 | -.00033797 |
| 8 | 5p | 75.814618 | -.00000925 |
| 9 | 5p | 1.523010 | .00306456 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.465166 | < R2 > | 7.071129 | < 1/R > | .530870 | < 1/R**2 > | .620278 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.385593 | -.16453124 |
| 2 | 1s | 9.435688 | .18952407 |
| 3 | 1s | 21.419275 | .00232903 |
| 4 | 2s | 4.196155 | -.27348030 |
| 5 | 3s | 1.738112 | .87026402 |
| 6 | 4s | 3.114259 | .13830836 |
| 7 | 5s | 1.580023 | .08854039 |
| 8 | 4s | 45.701573 | -.00005737 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.093341 | < R2 > | 5.047893 | < 1/R > | .634186 | < 1/R**2 > | 2.225470 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177117 | .48227912 |
| 2 | 3p | 5.436506 | .49333484 |
| 3 | 4p | 4.265347 | .12707851 |
| 4 | 5p | 2.743890 | .00338849 |
| 5 | 2p | 14.231308 | .00945171 |
| 6 | 5p | 31.545939 | -.00045791 |
| 7 | 4p | 45.428510 | -.00008184 |
| 8 | 3p | .894910 | .00009677 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535277 | < R2 > | .359480 | < 1/R > | 2.456869 | < 1/R**2 > | 8.523305 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398810 | .35141227 |
| 2 | 2s | 4.934780 | -.77287316 |
| 3 | 3s | 4.398084 | -.16879325 |
| 4 | 4s | 21.977504 | .00177958 |
| 5 | 2s | 6.454202 | -.18123589 |
| 6 | 3s | 14.460811 | .01041708 |
| 7 | 4s | 3.411812 | -.00407994 |
| 8 | 4s | 61.796363 | -.00002048 |
| 9 | 5s | 1.719481 | -.00007413 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562552 | < R2 > | .376664 | < 1/R > | 2.592082 | < 1/R**2 > | 27.724230 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577889 | 1.01499711 |
| 2 | 2s | 18.820834 | -.02466604 |
| 3 | 3s | 9.622126 | .02347232 |
| 4 | 4s | 48.602055 | -.00008122 |
| 5 | 4s | 27.353711 | .00097347 |
| 6 | 2s | 69.801857 | .00001921 |
| 7 | 5s | 11.890189 | -.00876388 |
| 8 | 3s | 2.583540 | .00063301 |
| 9 | 4s | 2.957725 | -.00051826 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581435 | < 1/R**2 > | 372.394012 |
Total Energy= -288.61126217 a.u.
Kinetic Energy= 288.61038057 a.u.
Potential Energy= -577.22164274 a.u.
Virial Ratio = -2.00000305